4-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 4-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 4-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]benzoate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C12H13N3O2S/c1-3-18-12-14-13-8(2)15(12)10-6-4-9(5-7-10)11(16)17/h4-7H,3H2,1-2H3,(H,16,17)/p-1